#!/bin/bash
rm INPUT KPT POSCAR STRU 2>/dev/null
../cif2cell.py -f ../cifs/BaTiO3_orthorhombic.cif --program "vasp"
../cif2cell.py -f ../cifs/BaTiO3_orthorhombic.cif --program "abacus-lcao"  --orbfilepath="../OrbitalPath" --pseudostringsuffix="_ONCV_PBE-1.0.upf" --pspdir="../PotentialPath" --kresolution=0.2
